3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide

C9H9Cl2NO3 — CID 155553304

IUPAC3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C9H9Cl2NO3/c10-5-1-2-6(7(11)3-5)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14)
InChIKeyICXJMRZQQYLVJY-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.92
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide

3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide (PubChem CID 155553304) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide
PubChem CID155553304
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1Cl)NO
InChIInChI=1S/C9H9Cl2NO3/c10-5-1-2-6(7(11)3-5)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14)
InChIKeyICXJMRZQQYLVJY-UHFFFAOYSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-N,3-dihydroxypropanamide
CID 71721721
(3R)-3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
CID 45105065
3-(2,3-dichlorophenyl)-N,3-dihydroxypropanamide
CID 72707671
3-(3,4-dichlorophenyl)-N,3-dihydroxypropanamide
CID 72707672
Acetamide, 2-(p-chlorophenyl)-2-hydroxy-
CID 29140
3-(3-Chlorophenyl)-3-hydroxypropanamide
CID 662123
3-(2-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707599
3-(4-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707667
(E,3R,5S)-7-(2,4-dichlorophenyl)-3,5-dihydroxyhept-6-enamide
CID 44345284
(3S)-3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
CID 45103524
N,3-dihydroxy-3-phenylpropanamide
CID 71721720
3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 71727108

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide (CID 155553304) is 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide is O=C(CC(O)c1ccc(Cl)cc1Cl)NO.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide?
The InChIKey is ICXJMRZQQYLVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c10-5-1-2-6(7(11)3-5)8(13)4-9(14)12-15/h1-3,8,13,15H,4H2,(H,12,14).
What are the key properties of 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide?
3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide has a molecular weight of 250.08 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 155553304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).